ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate

C14H15NO2S — CID 3713155

IUPACethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)c2)csc1N
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(8-18-13(12)15)10-6-4-5-9(2)7-10/h4-8H,3,15H2,1-2H3
InChIKeyRLFQMSHKFIHAAE-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.48
Rot. Bonds3

About ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate

ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate (PubChem CID 3713155) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
PubChem CID3713155
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)c2)csc1N
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(8-18-13(12)15)10-6-4-5-9(2)7-10/h4-8H,3,15H2,1-2H3
InChIKeyRLFQMSHKFIHAAE-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
ethyl 2-[(4-methoxybenzoyl)amino]-4-(3-methylphenyl)thiophene-3-carboxylate
CID 995603
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
(1R,6S)-6-[[3-ethoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7308941
ethyl 4-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 1229733
ethyl 2-amino-4-phenylthiophene-3-carboxylate;ethyl 2-cyano-3-phenylbut-2-enoate
CID 158643545
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate (CID 3713155) is ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2cccc(C)c2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate?
The InChIKey is RLFQMSHKFIHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(8-18-13(12)15)10-6-4-5-9(2)7-10/h4-8H,3,15H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 3713155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).